Geometry & MOs

Info

ID:	216933
PubChem CID:	85087005
Reduced:	NO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	321.172879
ΔH_f, kcal/mol:	-140.16
Dipole, Da:	4.82
IP(EA), eV:	-8.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-hydroxyphenyl)-2-piperidin-4-ylidenebutylidene]cyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CC(C=CC(=O)NC1=C(C=CC(=C1)OC)OC)C2CCC(=O)C2

DOS

IR

Vibrations